(2S,6S)-2,6-diphenylmorpholine

• ChemBase ID: 796591
• Molecular Formular: C16H17NO
• Molecular Mass: 239.31228
• Monoisotopic Mass: 239.13101417
• SMILES: C1[C@@H](O[C@H](CN1)c1ccccc1)c1ccccc1
• Canonical SMILES: N1C[C@@H](O[C@H](C1)c1ccccc1)c1ccccc1
• InChI: InChI=1S/C16H17NO/c1-3-7-13(8-4-1)15-11-17-12-16(18-15)14-9-5-2-6-10-14/h1-10,15-17H,11-12H2/t15-,16-/m1/s1
• InChIKey: QWSCRARZYRBIJG-HZPDHXFCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S,6S)-2,6-diphenylmorpholine
• IUPAC Traditional name: (2S,6S)-2,6-diphenylmorpholine
• Synonyms: (2S,6S)-2,6-DiphenylMorpholine

Database IDs

• CAS Number: 1186384-50-8

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.5800292
• LogD (pH = 7.4): 2.3104029
• Log P: 3.1571014
• Molar Refractivity: 72.3335 cm^3
• Polarizability: 28.817163 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%